4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide

C21H23N3O2 — CID 135888514

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)15-7-5-8-16(13-15)22-20(25)12-6-11-19-23-18-10-4-3-9-17(18)21(26)24-19/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyPJTLQJHGXPARBE-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.01
Rot. Bonds6

About 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 135888514) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
PubChem CID135888514
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)15-7-5-8-16(13-15)22-20(25)12-6-11-19-23-18-10-4-3-9-17(18)21(26)24-19/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyPJTLQJHGXPARBE-UHFFFAOYSA-N
XLogP4.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide (CID 135888514) is 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide is CC(C)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is PJTLQJHGXPARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)15-7-5-8-16(13-15)22-20(25)12-6-11-19-23-18-10-4-3-9-17(18)21(26)24-19/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 349.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 135888514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).